5-(4-butan-2-ylphenyl)-4-(ethylamino)-5-oxopentanoic acid

C17H25NO3 — CID 82349311

IUPAC5-(4-butan-2-ylphenyl)-4-(ethylamino)-5-oxopentanoic acid
SMILESCCNC(CCC(=O)O)C(=O)c1ccc(C(C)CC)cc1
InChIInChI=1S/C17H25NO3/c1-4-12(3)13-6-8-14(9-7-13)17(21)15(18-5-2)10-11-16(19)20/h6-9,12,15,18H,4-5,10-11H2,1-3H3,(H,19,20)
InChIKeyHSUYPPRTNWLXBR-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.23
Rot. Bonds9

About 5-(4-butan-2-ylphenyl)-4-(ethylamino)-5-oxopentanoic acid

5-(4-butan-2-ylphenyl)-4-(ethylamino)-5-oxopentanoic acid (PubChem CID 82349311) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-(4-butan-2-ylphenyl)-4-(ethylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(4-butan-2-ylphenyl)-4-(ethylamino)-5-oxopentanoic acid
PubChem CID82349311
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name5-(4-butan-2-ylphenyl)-4-(ethylamino)-5-oxopentanoic acid
SMILESCCNC(CCC(=O)O)C(=O)c1ccc(C(C)CC)cc1
InChIInChI=1S/C17H25NO3/c1-4-12(3)13-6-8-14(9-7-13)17(21)15(18-5-2)10-11-16(19)20/h6-9,12,15,18H,4-5,10-11H2,1-3H3,(H,19,20)
InChIKeyHSUYPPRTNWLXBR-UHFFFAOYSA-N
XLogP3.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(4-butan-2-ylphenyl)-4-(ethylamino)-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(ethylamino)-5-oxo-5-(4-propan-2-ylphenyl)pentanoic acid
CID 82347835
5-(4-butan-2-ylphenyl)-4-(methylamino)-5-oxopentanoic acid
CID 82349312
4-(4-butan-2-ylphenyl)-3-(ethylamino)-4-oxobutanoic acid
CID 82322816
4-(4-butan-2-ylphenyl)-3-(2-hydroxyethylamino)-4-oxobutanoic acid
CID 82322813
2-amino-1-(4-butan-2-ylphenyl)propan-1-one
CID 82048669
5-(4-methylphenyl)-5-oxo-4-(propan-2-ylamino)pentanoic acid
CID 82347542
5-(4-butan-2-ylphenyl)-5-chloropentanoic acid
CID 82367075
5-(4-ethylphenyl)-4-(methylamino)-5-oxopentanoic acid
CID 82347772
2-(ethylamino)-1-(4-methylphenyl)butan-1-one
CID 91698934
4-butan-2-ylbenzohydrazide
CID 83386529
2-(ethylamino)-1-(4-hydroxyphenyl)butan-1-one
CID 141149371
1-(4-butan-2-ylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103309340

Frequently Asked Questions

What is the IUPAC name of 5-(4-butan-2-ylphenyl)-4-(ethylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(4-butan-2-ylphenyl)-4-(ethylamino)-5-oxopentanoic acid (CID 82349311) is 5-(4-butan-2-ylphenyl)-4-(ethylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(4-butan-2-ylphenyl)-4-(ethylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(4-butan-2-ylphenyl)-4-(ethylamino)-5-oxopentanoic acid is CCNC(CCC(=O)O)C(=O)c1ccc(C(C)CC)cc1.
What is the InChIKey of 5-(4-butan-2-ylphenyl)-4-(ethylamino)-5-oxopentanoic acid?
The InChIKey is HSUYPPRTNWLXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-12(3)13-6-8-14(9-7-13)17(21)15(18-5-2)10-11-16(19)20/h6-9,12,15,18H,4-5,10-11H2,1-3H3,(H,19,20).
What are the key properties of 5-(4-butan-2-ylphenyl)-4-(ethylamino)-5-oxopentanoic acid?
5-(4-butan-2-ylphenyl)-4-(ethylamino)-5-oxopentanoic acid has a molecular weight of 291.39 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butan-2-ylphenyl)-4-(ethylamino)-5-oxopentanoic acid is sourced from PubChem (CID 82349311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).